(2S)-2-(benzylamino)propan-1-ol

C10H15NO — CID 5356540

IUPAC(2S)-2-(benzylamino)propan-1-ol
SMILESC[C@@H](CO)NCc1ccccc1
InChIInChI=1S/C10H15NO/c1-9(8-12)11-7-10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3/t9-/m0/s1
InChIKeyPJXWCRXOPLGFLX-VIFPVBQESA-N
MW165.24 g/mol
LogP1.16
Rot. Bonds4

About (2S)-2-(benzylamino)propan-1-ol

(2S)-2-(benzylamino)propan-1-ol (PubChem CID 5356540) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (2S)-2-(benzylamino)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-(benzylamino)propan-1-ol
PubChem CID5356540
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(2S)-2-(benzylamino)propan-1-ol
SMILESC[C@@H](CO)NCc1ccccc1
InChIInChI=1S/C10H15NO/c1-9(8-12)11-7-10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3/t9-/m0/s1
InChIKeyPJXWCRXOPLGFLX-VIFPVBQESA-N
XLogP1.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzylamino)propan-1-ol?
The IUPAC name of (2S)-2-(benzylamino)propan-1-ol (CID 5356540) is (2S)-2-(benzylamino)propan-1-ol.
What is the SMILES notation for (2S)-2-(benzylamino)propan-1-ol?
The canonical SMILES for (2S)-2-(benzylamino)propan-1-ol is C[C@@H](CO)NCc1ccccc1.
What is the InChIKey of (2S)-2-(benzylamino)propan-1-ol?
The InChIKey is PJXWCRXOPLGFLX-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15NO/c1-9(8-12)11-7-10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-2-(benzylamino)propan-1-ol?
(2S)-2-(benzylamino)propan-1-ol has a molecular weight of 165.24 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzylamino)propan-1-ol is sourced from PubChem (CID 5356540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).